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evb-amber

A python wrapper for setting up Empirical Valence Bond method with Amber

evb_omm

Empirical Valance Bond (EVB) calculation implemented with OpenMM

examples

A set of examples around pytorch in Vision, Text, Reinforcement Learning, etc.

ffea_analysis

gcn

Implementation of Graph Convolutional Networks in TensorFlow

google-foobar

My Google Foo Bar Challenges

google-foobar-help

Guidance on how to tackle some of the foobar challenges.

hengma1001.github.io

Personal website

imolecule

An embeddable webGL molecule viewer and file format converter.

in-silico-labeling

Code for In silico labeling: Predicting fluorescent labels in unlabeled images

ion_conc_md

juliaboxtutorials

keras

Deep Learning for humans

machine_setup

matplotlib

matplotlib: plotting with Python

md_runs

md_setup

md_utils

Something functions using OpenMM for MD simulations

mdlearn

Machine learning for molecular dynamics

megatron-deepspeed

Ongoing research training transformer language models at scale, including: BERT & GPT-2

ml-from-scratch

Machine Learning From Scratch. Bare bones Python implementations of machine learning models and algorithms with a focus on accessibility. Aims to cover everything from data mining to deep learning.

ml_hm_methods

model-zoo

Please do not feed the models

molecules

Machine learning for molecular dynamics.

molecules-deprecated

Machine learning for molecular dynamics

multi-rl-workflow

Workflows that concurrently train, use, and gather training data for multiple RL models

numba

NumPy aware dynamic Python compiler using LLVM

openfermion-pyscf

OpenFermion plugin to interface with the electronic structure package PySCF.

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.